N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide

C14H18N2O3S — CID 7638813

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C1CC1
InChIInChI=1S/C14H18N2O3S/c1-10-3-6-12(16-7-2-8-20(16,18)19)9-13(10)15-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17)
InChIKeyQZVLDGPVUZRQSW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.88
Rot. Bonds3

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 7638813) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
PubChem CID7638813
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C1CC1
InChIInChI=1S/C14H18N2O3S/c1-10-3-6-12(16-7-2-8-20(16,18)19)9-13(10)15-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17)
InChIKeyQZVLDGPVUZRQSW-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide (CID 7638813) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C1CC1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is QZVLDGPVUZRQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-3-6-12(16-7-2-8-20(16,18)19)9-13(10)15-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 7638813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).